CID 197340

Be-18591

Structural Information

Molecular Formula
C22H35N3O
SMILES
CCCCCCCCCCCCN=CC1=C(C=C(N1)C2=CC=CN2)OC
InChI
InChI=1S/C22H35N3O/c1-3-4-5-6-7-8-9-10-11-12-15-23-18-21-22(26-2)17-20(25-21)19-14-13-16-24-19/h13-14,16-18,24-25H,3-12,15H2,1-2H3
InChIKey
YGDMZCDTTXTBHS-UHFFFAOYSA-N
Compound name
N-dodecyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

357.278 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.28528 191.7
[M+Na]+ 380.26722 196.1
[M-H]- 356.27072 193.6
[M+NH4]+ 375.31182 204.6
[M+K]+ 396.24116 189.7
[M+H-H2O]+ 340.27526 181.8
[M+HCOO]- 402.27620 213.6
[M+CH3COO]- 416.29185 216.1
[M+Na-2H]- 378.25267 190.1
[M]+ 357.27745 196.4
[M]- 357.27855 196.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.